Vitas-M small molecule compound
(2S,5R,6R)-6-({[(4-ethyl-2,3-dioxopiperazin-1-yl)amino](phenyl)acetyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Catalog ID
STL525975
SMILES CCN1CCN(C(=O)C1=O)NC(C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H27N5O6S MW 489.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O6S/c1-4-25-10-11-26(19(31)18(25)30)24-13(12-8-6-5-7-9-12)16(28)23-14-17(29)27-15(21(32)33)22(2,3)34-20(14)27/h5-9,13-15,20,24H,4,10-11H2,1-3H3,(H,23,28)(H,32,33)/t13?,14-,15+,20-/m1/s1InChIKey
DMJJPMGZQFOKEW-UVIOZBFDSA-NSynonyms
312964-70-8(2~(S)5~(R)6~(R))6((2((4ethyl23dioxopiperazin1yl)amino)2phenylacetyl)amino)33dimethyl7oxo4thia1azabicyclo(320)heptane2carboxylicacid
(2S5R6R)6((((4ethyl23dioxopiperazin1yl)amino)(phenyl)acetyl)amino)33dimethyl7oxo4thia1azabicyclo(320)heptane2carboxylicacid
(2S5R6R)6(2((4ethyl23dioxopiperazin1yl)amino)2phenylacetamido)33dimethyl7oxo4thia1azabicyclo(320)heptane2carboxylicacid
16395118
312964708
CCN1CCN(C(=O)C1=O)NC(C(=O)N(C@@H)1C(=O)N2(C@@H)1SC((C@@H)2C(=O)O)(C)C)c1ccccc1
InChI=1SC22H27N5O6Sc1425101126(19(31)18(25)30)2413(128657912)16(28)231417(29)2715(21(32)33)22(23)3420(14)27h5913152024H41011H213H3(H2328)(H3233)t13?1415+20m1s1
MFCD01543710
ZINC000008739989
ZINC000008739990
Check stock
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